SCHEMBL8079964

SCHEMBL8079964

CCCCCCCCCCCCSC(CC)C(=O)NNCC(=O)Nc1cc(C)c(O)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.56
ACAT1 P24752 1/20 0.56
SOAT1 P35610 1/20 0.56
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
PLK1 P53350 3/20 0.32
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8080763 0.89 SOAT2 (0.57) SOAT2ACAT1SOAT1ALDH1A1GLA
SCHEMBL8049436 0.87 SOAT2 (0.68) SOAT2ACAT1SOAT1THRBPLK1
SCHEMBL8086038 0.84 SOAT2 (0.59) SOAT2ACAT1SOAT1PLK1ESR1
SCHEMBL8079670 0.84 SOAT1 (0.79) SOAT2ACAT1SOAT1ALDH1A1GLA
SCHEMBL8080772 0.81 SOAT2 (0.50) SOAT2ACAT1SOAT1ALDH1A1GLA
SCHEMBL8647324 0.81 SOAT2 (0.38) SOAT2ACAT1SOAT1ALDH1A1
SCHEMBL8042246 0.80 SOAT2 (0.67) SOAT2ACAT1SOAT1THRBPLK1
SCHEMBL8416104 0.80 SOAT2 (0.67) SOAT2ACAT1SOAT1PLK1ESR1
SCHEMBL8080878 0.79 SOAT2 (0.48) SOAT2ACAT1SOAT1ALDH1A1GLA
SCHEMBL8043445 0.77 SOAT2 (0.69) SOAT2ACAT1SOAT1PLK1ESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871611-B1 NEW DERIVATIVES OF GLYCYLANILIDES, PREPARATION AND THERAPEUTICAL APPLICATION PF MEDICAMENT (FR) 2000-09-13 EP claimed
US-5760087-A ANTICHOLESTEROL AGENTS PIERRE FABRE MEDICAMENT (FR) 1998-06-02 US claimed
EP-0871611-B1 NEW DERIVATIVES OF GLYCYLANILIDES, PREPARATION AND THERAPEUTICAL APPLICATION PF MEDICAMENT (FR) 2000-09-13 EP disclosed
US-5760087-A ANTICHOLESTEROL AGENTS PIERRE FABRE MEDICAMENT (FR) 1998-06-02 US disclosed